Deborah A Penchoff

Affiliations: 
The University of Tennessee, Knoxville, TN, United States 
Area:
radiochemistry, high performance computing
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"Deborah Penchoff"
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Publications

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Valeev EF, Harrison RJ, Holmes AA, et al. (2023) Direct Determination of Optimal Real-Space Orbitals for Correlated Electronic Structure of Molecules. Journal of Chemical Theory and Computation. 19: 7230-7241
Peterson CC, Penchoff DA, Auxier JD, et al. (2019) Establishing Cost-Effective Computational Models for the Prediction of Lanthanoid Binding in [Ln(NO)] (with Ln = La to Lu). Acs Omega. 4: 1375-1385
Penchoff DA, Peterson CC, Quint MS, et al. (2018) Structural Characteristics, Population Analysis, and Binding Energies of [An(NO)] (with An = Ac to Lr). Acs Omega. 3: 14127-14143
Penchoff DA, Peterson CC, Camden JP, et al. (2018) Structural Analysis of the Complexation of Uranyl, Neptunyl, Plutonyl, and Americyl with Cyclic Imide Dioximes. Acs Omega. 3: 13984-13993
Peterson C, Penchoff DA, Wilson AK. (2016) Prediction of Thermochemical Properties Across the Periodic Table: A Review of the correlation consistent Composite Approach (ccCA) Strategies and Applications Annual Reports in Computational Chemistry
Peterson C, Penchoff DA, Wilson AK. (2015) Ab initio approaches for the determination of heavy element energetics: Ionization energies of trivalent lanthanides (Ln = La-Eu). The Journal of Chemical Physics. 143: 194109
Penchoff DA, Bursten BE. (2014) Metal-metal bonding in the actinide elements: Conceptual synthesis of a pure two-electron U-U fδ single bond in a constrained geometry of U2(OH)10 Inorganica Chimica Acta. 424: 267-273
Bernstein KJ, Do-Thanh CL, Penchoff DA, et al. (2014) The synthesis and spectroscopic characterization of an aromatic uranium amidoxime complex Inorganica Chimica Acta. 421: 374-379
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